3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol

C12H26N2O2 — CID 115666180

IUPAC3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)CC1CN(CC)CCO1
InChIInChI=1S/C12H26N2O2/c1-3-13(6-5-8-15)10-12-11-14(4-2)7-9-16-12/h12,15H,3-11H2,1-2H3
InChIKeyIXZSPVHSWQDNSB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.41
Rot. Bonds7

About 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol

3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol (PubChem CID 115666180) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
PubChem CID115666180
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)CC1CN(CC)CCO1
InChIInChI=1S/C12H26N2O2/c1-3-13(6-5-8-15)10-12-11-14(4-2)7-9-16-12/h12,15H,3-11H2,1-2H3
InChIKeyIXZSPVHSWQDNSB-UHFFFAOYSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]-2-methylpropanethioamide
CID 79164440
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
2,4-diethylmorpholine
CID 58988021
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513
3-[(4-ethylmorpholin-2-yl)methyl-(2-methylpropyl)amino]propanethioamide
CID 79165346
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258676
4-ethyl-2-propylmorpholine
CID 127673597

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol (CID 115666180) is 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol is CCN(CCCO)CC1CN(CC)CCO1.
What is the InChIKey of 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol?
The InChIKey is IXZSPVHSWQDNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-13(6-5-8-15)10-12-11-14(4-2)7-9-16-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol?
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115666180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).